O1-ethyl O3-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C19H19N3O9S MolecularWeight: 465.43386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H19N3O9S/c1-3-30-18(24)12-8-13(10-15(9-12)22(26)27)19(25)31-11(2)17(23)21-14-4-6-16(7-5-14)32(20,28)29/h4-11H,3H2,1-2H3,(H,21,23)(H2,20,28,29)/t11-/m1/s1